methyl 3-[[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]carbamoyl]-5-nitro-benzoate

Systemtic Name: methyl 3-[[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]carbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[[4-(4-bromophenyl)-5-methyl-thiazol-2-yl]carbamoyl]-5-nitro-benzoate CAS Name: 3-[[[4-(4-bromophenyl)-5-methyl-2-thiazolyl]amino]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]carbamoyl]-5-nitrobenzoate Traditional Name: 3-[[4-(4-bromophenyl)-5-methyl-thiazol-2-yl]carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C19H14BrN3O5S MolecularWeight: 476.30056

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(S1)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OC)C3=CC=C(C=C3)Br

Isomeric SMILES

CC1=C(N=C(S1)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OC)C3=CC=C(C=C3)Br

InChI

InChI=1S/C19H14BrN3O5S/c1-10-16(11-3-5-14(20)6-4-11)21-19(29-10)22-17(24)12-7-13(18(25)28-2)9-15(8-12)23(26)27/h3-9H,1-2H3,(H,21,22,24)